methyl 1-methyl-5-(4-oxidanylbutan-2-ylamino)-3-(2-phenoxyethanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 1-methyl-5-(4-oxidanylbutan-2-ylamino)-3-(2-phenoxyethanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-3-[(2-phenoxyacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(4-hydroxybutan-2-ylamino)-1-methyl-3-[(1-oxo-2-phenoxyethyl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-hydroxybutan-2-ylamino)-1-methyl-3-[(2-phenoxyacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(3-hydroxy-1-methyl-propyl)amino]-1-methyl-3-[(2-phenoxyacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(CCO)NC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O5/c1-14(9-10-27)24-15-11-17-19(20(22(29)30-3)26(2)21(17)23-12-15)25-18(28)13-31-16-7-5-4-6-8-16/h4-8,11-12,14,24,27H,9-10,13H2,1-3H3,(H,25,28)